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GPCR

NameAdenosine receptor A2a
SpeciesRattus norvegicus (Rat)
GeneAdora2a
SynonymA2-AR
A2A receptor
adenosine receptor A2a
RDC8
DiseaseN/A for non-human GPCRs
Length410
Amino acid sequenceMGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProtP30543
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL302
IUPHAR19
DrugBankN/A

Ligand

NameCHEMBL439141
Molecular formulaC16H20N8O
IUPAC name5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
Molecular weight340.391
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP1.5
SynonymsSCHEMBL3539627
(+/-)-2-furan-2-yl-5-(octahydropyrido[1,2-a]pyrazin-2-yl)[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-ylamine
BDBM50156621
Inchi KeyAXRFXIIGLMCJFC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20N8O/c17-14-19-15(23-8-7-22-6-2-1-4-11(22)10-23)20-16-18-13(21-24(14)16)12-5-3-9-25-12/h3,5,9,11H,1-2,4,6-8,10H2,(H2,17,18,19,20,21)
PubChem CID11772174
ChEMBLCHEMBL439141
IUPHARN/A
BindingDB50156621
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki12.0 nMPMID15566292BindingDB,ChEMBL

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